2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile

C12H22N2O — CID 64746560

IUPAC2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile
SMILESCC1CCC(OCC(C)(N)C#N)CC1C
InChIInChI=1S/C12H22N2O/c1-9-4-5-11(6-10(9)2)15-8-12(3,14)7-13/h9-11H,4-6,8,14H2,1-3H3
InChIKeyLINGNLDDDWEPAL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.07
Rot. Bonds3

About 2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile

2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile (PubChem CID 64746560) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile
PubChem CID64746560
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile
SMILESCC1CCC(OCC(C)(N)C#N)CC1C
InChIInChI=1S/C12H22N2O/c1-9-4-5-11(6-10(9)2)15-8-12(3,14)7-13/h9-11H,4-6,8,14H2,1-3H3
InChIKeyLINGNLDDDWEPAL-UHFFFAOYSA-N
XLogP2.07
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile?
The IUPAC name of 2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile (CID 64746560) is 2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile.
What is the SMILES notation for 2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile?
The canonical SMILES for 2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile is CC1CCC(OCC(C)(N)C#N)CC1C.
What is the InChIKey of 2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile?
The InChIKey is LINGNLDDDWEPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-4-5-11(6-10(9)2)15-8-12(3,14)7-13/h9-11H,4-6,8,14H2,1-3H3.
What are the key properties of 2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile?
2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile is sourced from PubChem (CID 64746560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).